SCHEMBL13872246

SCHEMBL13872246

C=C1c2cc(-c3cccnc3)ccc2CN1c1ccc2c(c1)N(C)CC2

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 13/20 0.43
▸ CYP11B2 P19099 12/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP17A1 P05093 1/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ MAP3K5 Q99683 2/20 0.39
▸ SRD5A1 P18405 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13871876 0.89 NOTUM (0.35) CYP11B1CYP11B2
SCHEMBL13871907 0.88 MAP3K5 (0.49) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL13871899 0.87 MCHR1 (0.37) CYP11B1CYP11B2SRD5A1
SCHEMBL13871851 0.79 NPC1 (0.37) —
SCHEMBL13872207 0.79 CYP11B1 (0.43) CYP11B1CYP11B2CYP1A2MAP3K5
SCHEMBL13872303 0.78 MAP3K5 (0.43) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL13871856 0.77 CYP1A2 (0.35) CYP1A2
SCHEMBL13871879 0.77 HTR2C (0.37) CYP1A2
SCHEMBL21646417 0.73 CYP11B2 (0.66) CYP11B1CYP11B2CYP1A2CYP17A1CYP19A1
SCHEMBL13871887 0.73 NOTUM (0.33) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009042907-A1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-04-02 — — WO disclosed
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